Geometry & MOs

Info

ID:	307022
PubChem CID:	125264677
Reduced:	N2O3C19H32 (1)
Stoich.:	A2B3C19D32 (1)
Weight, g/mol:	349.182398
ΔH_f, kcal/mol:	-136.38
Dipole, Da:	4.41
IP(EA), eV:	-8.68(1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R,3aR,7aR)-3-(4-methylpiperazin-1-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-2-thiophen-3-ylethanone

Drug info:

PubChemData

Smile

CN1CCC(CC1)COC[C@@H]2CC[C@@H]3[C@H](O2)CCN3C(=O)C4CC4

DOS

IR

Vibrations